REMARK Name = BDB059997 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.713 1.631 1.012 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.466 3.064 0.561 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.783 4.121 1.432 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.569 5.447 1.053 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.047 5.737 -0.205 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.747 4.703 -1.088 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.961 3.375 -0.713 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.741 0.579 0.405 0.00 0.00 +0.188 C ATOM 9 O LIG 1 -1.155 -0.332 -0.318 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.209 -1.436 -0.132 0.00 0.00 +0.003 A ATOM 11 C LIG 1 4.109 -0.350 0.664 0.00 0.00 +0.121 A ATOM 12 N LIG 1 2.884 0.274 0.890 0.00 0.00 -0.239 N ATOM 13 C LIG 1 1.695 -0.175 0.316 0.00 0.00 +0.077 A ATOM 14 C LIG 1 0.681 0.665 0.747 0.00 0.00 +0.064 A ATOM 15 C LIG 1 1.354 1.589 1.575 0.00 0.00 +0.146 A ATOM 16 C LIG 1 1.772 -1.316 -0.531 0.00 0.00 +0.029 A ATOM 17 N LIG 1 2.663 1.361 1.670 0.00 0.00 -0.174 NA ATOM 18 C LIG 1 2.960 -1.912 -0.743 0.00 0.00 +0.012 A BRANCH 10 23 ATOM 19 C LIG 1 9.031 -2.489 -0.620 0.00 0.00 +0.172 C ATOM 20 N LIG 1 7.590 -2.566 -0.595 0.00 0.00 -0.274 N ATOM 21 N LIG 1 6.983 -3.714 -0.940 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 5.684 -3.433 -0.806 0.00 0.00 +0.143 A ATOM 23 C LIG 1 5.454 -2.105 -0.381 0.00 0.00 +0.021 A ATOM 24 C LIG 1 6.720 -1.572 -0.251 0.00 0.00 +0.116 A ENDBRANCH 10 23 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 25 ATOM 25 N LIG 1 -3.138 1.213 0.894 0.00 0.00 -0.303 NA ATOM 26 H LIG 1 -3.171 0.209 1.094 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.720 1.417 -0.441 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -5.114 0.770 -0.556 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -5.125 -0.734 -0.389 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.836 -1.321 0.666 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.846 -2.709 0.830 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -5.146 -3.526 -0.062 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -4.438 -2.948 -1.119 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -4.430 -1.560 -1.283 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.154 -4.949 0.107 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.161 -6.102 0.246 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9